SCHEMBL13634745

SCHEMBL13634745

O=C(Nc1ccccc1C(=O)NCCCF)c1coc(N2CC[C@H](Oc3ncccn3)[C@H](F)C2)n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCL3 P20749 4/20 0.36
POLB P06746 2/20 0.35
IRAK4 Q9NWZ3 3/20 0.35
KMT2A Q03164 4/20 0.34
FSHR P23945 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
FGFR1 P11362 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13634553 1.00 BCL3 (0.36) BCL3POLBIRAK4KMT2AFSHR
SCHEMBL13634506 0.92 PIM1 (0.39) IRAK4ALDH1A1
SCHEMBL13634726 0.92 GPR6 (0.38) BCL3POLBIRAK4KMT2AALDH1A1
SCHEMBL13634839 0.90 PIM1 (0.39) IRAK4ALDH1A1
SCHEMBL13634787 0.88 HCAR2 (0.40) IRAK4KMT2AALDH1A1MEN1FGFR1
SCHEMBL13270803 0.88 HCAR2 (0.40) IRAK4KMT2AALDH1A1MEN1FGFR1
SCHEMBL13634890 0.86 ALDH1A1 (0.37) IRAK4KMT2AALDH1A1FGFR1LMNA
SCHEMBL13634860 0.86 POLB (0.43) POLBKMT2AALDH1A1LMNAMAPT
SCHEMBL13634625 0.86 MEN1 (0.40) IRAK4KMT2AALDH1A1MEN1PKM
SCHEMBL13634544 0.86 MEN1 (0.40) IRAK4KMT2AALDH1A1MEN1PKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed